2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide

C15H29N3O2 — CID 59532884

IUPAC2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=C(C)C(=O)NCCCN(C)CCCNC(=O)C(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)14(19)16-8-6-10-18(5)11-7-9-17-15(20)13(3)4/h13H,1,6-11H2,2-5H3,(H,16,19)(H,17,20)
InChIKeyQJZAQRVNYLKJGD-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.16
Rot. Bonds10

About 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide

2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide (PubChem CID 59532884) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide
PubChem CID59532884
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide
SMILESC=C(C)C(=O)NCCCN(C)CCCNC(=O)C(C)C
InChIInChI=1S/C15H29N3O2/c1-12(2)14(19)16-8-6-10-18(5)11-7-9-17-15(20)13(3)4/h13H,1,6-11H2,2-5H3,(H,16,19)(H,17,20)
InChIKeyQJZAQRVNYLKJGD-UHFFFAOYSA-N
XLogP1.16
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide?
The IUPAC name of 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide (CID 59532884) is 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide.
What is the SMILES notation for 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide?
The canonical SMILES for 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide is C=C(C)C(=O)NCCCN(C)CCCNC(=O)C(C)C.
What is the InChIKey of 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide?
The InChIKey is QJZAQRVNYLKJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-12(2)14(19)16-8-6-10-18(5)11-7-9-17-15(20)13(3)4/h13H,1,6-11H2,2-5H3,(H,16,19)(H,17,20).
What are the key properties of 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide?
2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide has a molecular weight of 283.42 g/mol, XLogP of 1.16, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-[methyl-[3-(2-methylprop-2-enoylamino)propyl]amino]propyl]propanamide is sourced from PubChem (CID 59532884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).